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English
3-Hydroxypregn-5-en-20-one
group of stereoisomers with the chemical formula C₂₁H₃₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1
0 references
InChIKey
ORNBQBCIOKFOEO-OZIWPBGVSA-N
0 references
CAS Registry Number
38372-24-6
0 references
PubChem CID
11823250
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23443579
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00872921
0 references
DSSTOX compound identifier
DTXCID40820466
0 references
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